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{
"id": "mp-30433",
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"structure_string": "Ba1 Sn3 Pt1\n1.0\n-2.486955 2.486955 5.645473\n2.486955 -2.486955 5.645473\n2.486955 2.486955 -5.645473\nBa Sn Pt\n1 3 1\ndirect\n0.001710 0.001710 0.000000 Ba\n0.253367 0.753367 0.500000 Sn\n0.753367 0.253367 0.500000 Sn\n0.417076 0.417076 0.000000 Sn\n0.653580 0.653580 0.000000 Pt\n",
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{
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"structure_string": "Cu4 H6 Cl2 O6\n1.0\n6.173300 0.000000 0.000000\n0.000000 5.741764 0.000000\n0.000000 0.060689 5.800741\nCu H Cl O\n4 6 2 6\ndirect\n0.250000 0.527073 0.007545 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.750000 0.472927 0.992455 Cu\n0.959622 0.802084 0.809926 H\n0.250000 0.173837 0.534049 H\n0.750000 0.826163 0.465951 H\n0.540378 0.802084 0.809926 H\n0.040378 0.197916 0.190074 H\n0.459622 0.197916 0.190074 H\n0.750000 0.108828 0.720541 Cl\n0.250000 0.891172 0.279459 Cl\n0.493229 0.367046 0.184623 O\n0.750000 0.669474 0.396681 O\n0.250000 0.330526 0.603319 O\n0.506771 0.632954 0.815377 O\n0.993229 0.632954 0.815377 O\n0.006771 0.367046 0.184623 O\n",
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{
"id": "mp-26181",
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"structure_string": "Li1 Fe1 P2 O7\n1.0\n4.111219 3.303653 0.000000\n-4.111219 3.303653 0.000000\n0.000000 1.086456 4.434911\nLi Fe P O\n1 1 2 7\ndirect\n0.750743 0.249257 0.000000 Li\n0.126383 0.873617 0.000000 Fe\n0.253021 0.332236 0.409974 P\n0.667764 0.746979 0.590026 P\n0.127678 0.537281 0.255028 O\n0.072751 0.183495 0.709840 O\n0.348611 0.157142 0.197545 O\n0.525816 0.474184 0.500000 O\n0.816505 0.927249 0.290160 O\n0.462719 0.872322 0.744972 O\n0.842858 0.651389 0.802455 O\n",
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"formula_full": "Li1 Fe1 P2 O7",
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"formula_anonymous": "ABC2D7",
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{
"id": "mp-775490",
"created_at": "2022-09-04T14:42:03.967248Z",
"structure_string": "Na1 Li7 Fe8 Si16 O48\n1.0\n5.359665 0.000000 0.000000\n1.983811 12.739448 0.000000\n1.980496 0.575907 12.733696\nNa Li Fe Si O\n1 7 8 16 48\ndirect\n0.494959 0.896889 0.356097 Na\n0.998691 0.123576 0.125930 Li\n0.002706 0.377662 0.374123 Li\n0.500544 0.623282 0.127251 Li\n0.503351 0.122789 0.627029 Li\n0.498170 0.376726 0.873043 Li\n0.998083 0.623654 0.626058 Li\n0.001388 0.876041 0.872584 Li\n0.497300 0.199550 0.050262 Fe\n0.505971 0.302024 0.449358 Fe\n0.005816 0.199121 0.552261 Fe\n0.000863 0.697786 0.050922 Fe\n0.997081 0.301043 0.948802 Fe\n0.997139 0.799818 0.449913 Fe\n0.496838 0.698970 0.551108 Fe\n0.501034 0.800388 0.948004 Fe\n0.793072 0.059282 0.398699 Si\n0.717320 0.352910 0.192617 Si\n0.289996 0.148645 0.307525 Si\n0.217064 0.442422 0.103145 Si\n0.779314 0.645409 0.308098 Si\n0.776223 0.146709 0.807648 Si\n0.724367 0.442597 0.604137 Si\n0.716155 0.942482 0.100745 Si\n0.278178 0.556856 0.396335 Si\n0.276161 0.057398 0.896942 Si\n0.212793 0.851910 0.190204 Si\n0.224456 0.352876 0.693177 Si\n0.782623 0.556632 0.897264 Si\n0.714937 0.853374 0.693435 Si\n0.282646 0.645921 0.807258 Si\n0.213416 0.941851 0.604941 Si\n0.703413 0.062262 0.054009 O\n0.781998 0.264337 0.101073 O\n0.566577 0.076998 0.322436 O\n0.281026 0.350896 0.014650 O\n0.290106 0.193747 0.187586 O\n0.068129 0.071271 0.326229 O\n0.939743 0.429560 0.172838 O\n0.717613 0.306758 0.312524 O\n0.722721 0.151564 0.485540 O\n0.440063 0.422808 0.179606 O\n0.215461 0.061353 0.556526 O\n0.216322 0.562329 0.057030 O\n0.222769 0.236117 0.399394 O\n0.784754 0.849987 0.014002 O\n0.789196 0.351014 0.515750 O\n0.793930 0.194321 0.687951 O\n0.793891 0.694736 0.188663 O\n0.543826 0.574938 0.319569 O\n0.541313 0.076236 0.820289 O\n0.288671 0.264742 0.601336 O\n0.283741 0.764692 0.098305 O\n0.295421 0.437556 0.445381 O\n0.044432 0.567258 0.325184 O\n0.041721 0.070322 0.826281 O\n0.958767 0.429285 0.674963 O\n0.946858 0.929419 0.173672 O\n0.707384 0.562175 0.556885 O\n0.712523 0.234910 0.899362 O\n0.717404 0.730785 0.401999 O\n0.459173 0.423370 0.680717 O\n0.446846 0.924233 0.175998 O\n0.207360 0.304973 0.812763 O\n0.189898 0.802362 0.308858 O\n0.212185 0.149340 0.985053 O\n0.213631 0.648805 0.484049 O\n0.779451 0.765205 0.601831 O\n0.803212 0.940812 0.448364 O\n0.782743 0.436757 0.943580 O\n0.559912 0.576085 0.820771 O\n0.275936 0.847920 0.519526 O\n0.282562 0.691304 0.687424 O\n0.060341 0.569106 0.827830 O\n0.936988 0.930471 0.676530 O\n0.714751 0.805825 0.812881 O\n0.718100 0.648180 0.985767 O\n0.437741 0.923824 0.681081 O\n0.217898 0.734785 0.898430 O\n0.292841 0.937668 0.944594 O\n",
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"volume": 869.4462393069274,
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"formula_full": "Na1 Li7 Fe8 Si16 O48",
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{
"id": "mp-570609",
"created_at": "2022-09-04T14:42:03.969080Z",
"structure_string": "Tl4 Ga4 Cl16\n1.0\n7.246205 0.000000 0.000000\n0.000000 9.644567 0.000000\n0.000000 0.000000 11.017141\nTl Ga Cl\n4 4 16\ndirect\n0.750000 0.308695 0.188478 Tl\n0.750000 0.191305 0.688478 Tl\n0.250000 0.808695 0.311522 Tl\n0.250000 0.691305 0.811522 Tl\n0.750000 0.813892 0.065287 Ga\n0.750000 0.686108 0.565287 Ga\n0.250000 0.313892 0.434713 Ga\n0.250000 0.186108 0.934713 Ga\n0.997357 0.679431 0.074051 Cl\n0.250000 0.072312 0.106788 Cl\n0.002643 0.179431 0.425949 Cl\n0.750000 0.572312 0.393212 Cl\n0.750000 0.951710 0.224055 Cl\n0.502643 0.820569 0.574051 Cl\n0.497357 0.320569 0.925949 Cl\n0.750000 0.548290 0.724055 Cl\n0.750000 0.927688 0.893212 Cl\n0.997357 0.820569 0.574051 Cl\n0.497357 0.179431 0.425949 Cl\n0.250000 0.427688 0.606788 Cl\n0.002643 0.320569 0.925949 Cl\n0.250000 0.451710 0.275945 Cl\n0.250000 0.048290 0.775945 Cl\n0.502643 0.679431 0.074051 Cl\n",
"nsites": 24,
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"volume": 769.9495304619512,
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"formula_full": "Tl4 Ga4 Cl16",
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{
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"created_at": "2022-09-04T14:42:03.842218Z",
"structure_string": "Y6 Ge26 Ir8\n1.0\n9.037430 0.000000 0.000000\n0.000000 9.037430 0.000000\n0.000000 0.000000 9.037430\nY Ge Ir\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Y\n0.500000 0.250000 0.000000 Y\n0.750000 0.000000 0.500000 Y\n0.000000 0.500000 0.250000 Y\n0.500000 0.750000 0.000000 Y\n0.250000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.808354 0.353663 0.500000 Ge\n0.646337 0.500000 0.808354 Ge\n0.500000 0.191646 0.646337 Ge\n0.191646 0.646337 0.500000 Ge\n0.353663 0.500000 0.191646 Ge\n0.500000 0.808354 0.353663 Ge\n0.808354 0.646337 0.500000 Ge\n0.646337 0.500000 0.191646 Ge\n0.191646 0.353663 0.500000 Ge\n0.353663 0.500000 0.808354 Ge\n0.500000 0.808354 0.646337 Ge\n0.500000 0.191646 0.353663 Ge\n0.308354 0.000000 0.853663 Ge\n0.146337 0.308354 0.000000 Ge\n0.000000 0.146337 0.691646 Ge\n0.691646 0.000000 0.146337 Ge\n0.853663 0.691646 0.000000 Ge\n0.000000 0.853663 0.308354 Ge\n0.308354 0.000000 0.146337 Ge\n0.146337 0.691646 0.000000 Ge\n0.691646 0.000000 0.853663 Ge\n0.853663 0.308354 0.000000 Ge\n0.000000 0.146337 0.308354 Ge\n0.000000 0.853663 0.691646 Ge\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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"structure_string": "Zr3 Ti1 Pb4 O12\n1.0\n11.728188 0.000000 0.000000\n0.000000 4.250151 0.000000\n0.000000 0.122824 5.935743\nZr Ti Pb O\n3 1 4 12\ndirect\n0.245665 0.031216 0.527199 Zr\n0.500000 0.030862 0.029210 Zr\n0.754335 0.031216 0.527199 Zr\n0.000000 0.053719 0.030922 Ti\n0.500000 0.583089 0.578335 Pb\n0.759713 0.586951 0.071864 Pb\n0.000000 0.580709 0.586352 Pb\n0.240287 0.586951 0.071864 Pb\n0.620513 0.987135 0.745337 O\n0.878207 0.987337 0.239206 O\n0.115712 0.979179 0.764656 O\n0.365228 0.985362 0.248735 O\n0.379487 0.987135 0.745337 O\n0.634772 0.985362 0.248735 O\n0.884288 0.979179 0.764656 O\n0.121793 0.987337 0.239206 O\n0.500000 0.511521 0.984226 O\n0.758292 0.512227 0.487407 O\n0.000000 0.479203 0.000060 O\n0.241708 0.512227 0.487407 O\n",
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{
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{
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]
}